methyl (2R)-4-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C18H26N3O4S+ MolecularWeight: 380.48174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H25N3O4S/c1-25-18(24)16-12-21(10-11-26-16)17(23)13-19-6-8-20(9-7-19)14-2-4-15(22)5-3-14/h2-5,16,22H,6-13H2,1H3/p+1/t16-/m1/s1